Published April 14, 2021 | Version v1

Data and Code for "Prediction of high thermoelectric performance in the low-dimensional metal halide Cs3Cu2I5"

  • 1. Yonsei University
  • 2. Samsung Advanced Institute of Technology
  • 3. Imperial College London

Description

Optimised crystal structure and force constant sets of Cs3Cu2I5 / post-processing scripts for AMSET package

Files

post_AMSET.4.6.ipynb

Files (446.6 MB)

Name Size
md5:a25caa3932355f1b6d7a9625bcfadc60
811.3 kB Download
md5:6852a87af0bd9877ee46cd48da17cdd2
494.8 kB Download
md5:ef61d4962a23bf56869d824780d42fc0
6.6 MB Download
md5:2032dcf8a0857110b8bab807d13c4bdc
2.8 kB Download
md5:01aab8292cf14baa0824aef523cd0b2d
85.1 kB Preview Download
md5:0ac98a61acecc865332cc358cf645385
1.0 kB Download
md5:fb6f63ecd2ec8a9338ab664bf5be8b7f
17.7 MB Preview Download
md5:96c09142cfcb3f733a32037951cbcb27
420.9 MB Download

Additional details

Related works

Is supplement to
Journal article: 10.1038/s41524-021-00521-9 (DOI)